Information card for entry 7113583

Structure parameters

• Common name: (eta$5!-cyclopentadienyl-manganese(i)- bis(dimethylphosphino)ethane-bis(triphenyltin)-tetracumulene) diethylether
• Chemical name: [η^5^-cyclopentadienyl-manganese(I)-bis(dimethylphosphino)ethane- bis(triphenyltin)-tetracumulene] diethylether
• Formula: C55 H61 Mn O P2 Sn2
• Calculated formula: C55 H61 Mn O P2 Sn2
• SMILES: [Sn](C([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)=C=C=C=[Mn]12345([P](CC[P]1(C)C)(C)C)[cH]1[cH]2[cH]3[cH]4[cH]51)(c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC
• Title of publication: A facile and novel route to unprecedented manganese C4 cumulenic complexes
• Authors of publication: Venkatesan, Koushik; Fernández, Francisco J.; Blacque, Olivier; Fox, Thomas; Alfonso, Montserrat; Schmalle, Helmut W.; Berke, Heinz
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 16
• Pages of publication: 2006
• a: 19.9343 ± 0.001 Å
• b: 21.6102 ± 0.0009 Å
• c: 12.0206 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5178.3 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.799
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103833
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No